! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   0.5489060359   0.5694821468  -2.3835056971
Cl  -3.0880956959   3.3934165608   0.2597085888
O    1.3008862265  -1.3501050121   1.7512223298
N   -0.6676714550  -2.5038615194  -0.0249441766
N   -1.6840554342  -2.1065806151  -0.7957974678
N   -2.4533153256  -3.0278246036   1.0987367936
C    1.1830442317  -0.9217571648   0.4105621077
C    2.5748699909  -0.5250210287  -0.1064769516
C    0.6967635570  -2.1641895268  -0.3515404047
C    3.1371746350   0.7484096387   0.5170128623
C    0.1295565207   0.1907457091   0.3113630836
C    4.4582631731   1.1834515313  -0.1109263681
C   -0.2037304689   0.8881673521  -0.8515682450
C   -0.6123107071   0.5131142651   1.4469539099
C    5.5829996525   0.1699884866   0.0340852926
C   -1.1813690968   1.8718193461  -0.8757662624
C   -1.5993484470   1.4838552571   1.4547829481
C   -1.1421934274  -3.0382926977   1.1003105324
C   -1.8712973021   2.1661327701   0.2852947380
C   -2.7249334515  -2.4466500587  -0.0843264666
H    2.5670823479  -0.4186438891  -1.1898370632
H    3.2347373564  -1.3706914382   0.1065099442
H    1.3427061101  -3.0080512990  -0.1078415342
H    0.7457227311  -2.0132399219  -1.4259907648
H    2.4169677806   1.5636453305   0.4069268283
H    3.2871201713   0.6150883230   1.5939807448
H    4.7646761032   2.1268343100   0.3474773833
H    4.2953303937   1.4000001803  -1.1709258470
H    1.6941777682  -0.6448644004   2.2801057699
H   -0.4256420218  -0.0138105598   2.3704094409
H    5.7526902858  -0.0871363002   1.0814844984
H    5.3756341670  -0.7559387384  -0.5035129635
H    6.5186858004   0.5661417097  -0.3615649375
H   -1.4030420363   2.3946365087  -1.7955486281
H   -2.1415224088   1.6954103650   2.3654095508
H   -0.5115448207  -3.4378780489   1.8767555478
H   -3.7288388821  -2.2716433986  -0.4373248712
*